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32502-62-8

32502-62-8 Structure

32502-62-8 Structure
IdentificationBack Directory
[Name]

3-methyl toxoflavin
[CAS]

32502-62-8
[Synonyms]

3-methyl toxoflavin
Pyrimido[5,4-e]-1,2,4-triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-
[Molecular Formula]

C8H9N5O2
[MDL Number]

MFCD00449892
[MOL File]

32502-62-8.mol
[Molecular Weight]

207.19
Chemical PropertiesBack Directory
[Boiling point ]

285.0±23.0 °C(Predicted)
[density ]

1.56±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 150 mg/mL (723.97 mM)
[form ]

Solid
[pka]

-1.80±0.20(Predicted)
[color ]

Light yellow to yellow
Hazard InformationBack Directory
[Definition]

ChEBI: 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is a pyrimidotriazine.
[Biological Activity]

3-Methyltoxoflavin is a potent inhibitor of protein disulfide isomerase (PDI) with IC50 of 170 nM.
[in vitro]

3-Methyltoxoflavin is a potent Protein disulfide isomerase (PDI) inhibitor, with an IC 50 of 170 nM. 3-Methyltoxoflavin is toxic in a panel of human glioblastoma cell lines. From the screen, 3-Methyltoxoflavin emerges as the most cytotoxic inhibitor of PDI. Bromouridine labeling and sequencing (Bru-seq) of nascent RNA reveals that 3-Methyltoxoflavin induces Nrf2 antioxidant response, ER stress response, and autophagy . Specifically, 3-Methyltoxoflavin upregulates heme oxygenase 1 and SLC7A11 transcription and protein expression and represses PDI target genes such as TXNIP and EGR1. Interestingly, 3-Methyltoxoflavin-induced cell death does not proceed via apoptosis or necrosis, but by a mixture of autophagy and ferroptosis.

[target]

IC50: 170 nM (PDI).

Spectrum DetailBack Directory
[Spectrum Detail]

3-methyl toxoflavin(32502-62-8)1HNMR
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